Boronic acid,B-(3-bromo-5-methylphenyl)- supplier

Name
3-BROMO-5-METHYLPHENYLBORONIC ACID
EINECS
CAS No. 849062-36-8
Article Data2
CAS DataBase
Density 1.577 g/cm³
Solubility
Melting Point 278-283 °C
Formula C₇H₈BBrO₂
Boiling Point 351.805 °C at 760 mmHg
Molecular Weight 214.854
Flash Point 166.566 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (3-bromo-5-methylphenyl)- (9CI);3-Bromo-5-methylphenylboronic acid;(3-Bromo-5-methylphenyl)boronic acid;3-Bromo-5-methylbenzeneboronic acid;
PSA 40.46000
LogP 0.43730

Boronic acid,B-(3-bromo-5-methylphenyl)- Specification

The Boronic acid,B-(3-bromo-5-methylphenyl)-, with the CAS registry number 849062-36-8, is also known as 3-Bromo-5-methylbenzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Aryl; Boronic Acids and Derivatives. This chemical's molecular formula is C₇H₈BBrO₂and molecular weight is 214.85. What's more, its systematic name is (3-bromo-5-methylphenyl)boronic acid. You should not breathe dust. When using it, you should avoid contact with skin and eyes.

Physical properties of Boronic acid,B-(3-bromo-5-methylphenyl)- are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 81; (6)ACD/BCF (pH 7.4): 53; (7)ACD/KOC (pH 5.5): 810; (8)ACD/KOC (pH 7.4): 522; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 45.633 cm³; (15)Molar Volume: 136.254 cm³; (16)Polarizability: 18.09×10^-24cm³; (17)Surface Tension: 49.299 dyne/cm; (18)Density: 1.577 g/cm³; (19)Flash Point: 166.566 °C; (20)Enthalpy of Vaporization: 62.952 kJ/mol; (21)Boiling Point: 351.805 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cc(C)cc(Br)c1
(2)InChI: InChI=1S/C7H8BBrO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3
(3)InChIKey: KKEPYOBFWSGWLQ-UHFFFAOYSA-N

Product Name

3-BROMO-5-METHYLPHENYLBORONIC ACID

Boronic acid,B-(3-bromo-5-methylphenyl)- Specification

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